CAS Number6627-91-4
Synonyms21-Cyan-o-toluyl-saeure; 2-Carboxy-phenylacetonitril; EINECS 229-602-3; 2-cyanomethyl-benzoic acid; MFCD00020293; o-Carboxyphenylacetonitrile; o-cyanomethylbenzoic acid
Molecular FormulaC9H7NO2
Molecular Weight161.16
Density1.257g/cm3
Boiling Point348.8ºC at 760 mmHg
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 6627-91-4 |
| Catalog No. | 2A-9069545 |
| Chinese Name | 2-(氰基甲基)苯甲酸 |
| Synonyms | 21-Cyan-o-toluyl-saeure; 2-Carboxy-phenylacetonitril; EINECS 229-602-3; 2-cyanomethyl-benzoic acid; MFCD00020293; o-Carboxyphenylacetonitrile; o-cyanomethylbenzoic acid |
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.16 |
| Density | 1.257g/cm3 |
| Boiling Point | 348.8ºC at 760 mmHg |
| Appearance | solid |
| HTC | 2926909090 |
| PubChem ID | 329791709 |
| MDL Number | MFCD00020293 |
| SMILES | OC(=O)c1ccccc1CC#N |
| InChI | 1S/C9H7NO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5H2,(H,11,12) |
| InChI Key | AGXBHBJDSLZGAP-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352106 |
| MSDS | msds/69545_1_6627_91_4.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, refrigerated. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C9H7NO2 Molecular weight:161.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Benzoic acid, 2-(cyanomethyl)- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C9-H7-N-O2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,7,1953 Safety Information HS Code 2926909090 Synthetic Route 2-Hydroxyimino-... 80070-33-3 o-Carboxyphenyl... Ethyl 2-(cyanom... 19821-21-7 o-Carboxyphenyl... Literature: Canepa, Alicia S.; Bravo, Rodolfo D. Synthetic Communications, 2004 , vol. 34, # 4 p. 579 - 588 POTASSIUM CYANI... o-Carboxyphenyl... Literature: Organic Syntheses, , vol. 22, p. 30 Precursor & DownStream Precursor 9 CAS#:80070-33-3 2-Hydroxyimino-... CAS#:19821-21-7 Ethyl 2-(cyanom... CAS#:87-41-2 CAS#:151-50-8 POTASSIUM CYANIDE DownStream 10 CAS#:19821-21-7 Ethyl 2-(cyanom... CAS#:89-51-0 Homophthalic acid CAS#:7664-41-7 CAS#:7742-73-6 1,3-Dichloroiso... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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